HRID119660

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID96590

4-Isoxazolecarbonyl chloride, 3-(2-chlorophenyl)-5-methyl-

C11H7Cl2NO2

HCID5360545

Sodium

HCID178431850

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2ccccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2c1nnn[nH]1

HCID178434989

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90115c0ef8f04af5835f25aacba265ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br-:36].[CH3:44][C:45](=[O:46])[CH3:47].[Cl:19][c:20]1[c:21](-[c:26]2[n:27][o:28][c:29]([CH3:34])[c:30]2[C:31](=[O:32])[Cl:33])[cH:22][cH:23][cH:24][cH:25]1.[K+:37].[NH2:1][CH:2]1[CH:3]2[N:4]([CH:5]([c:10]3[n:11][n:12][n:13][nH:14]3)[C:6]([CH3:8])([CH3:9])[S:7]2)[C:15]1=[O:16].[Na+:18].[Na:35].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH-:17].[OH2:38]>>[NH:1]([CH:2]1[CH:3]2[N:4]([CH:5]([c:10]3[nH:11][n:12][n:13][n:14]3)[C:6]([CH3:8])([CH3:9])[S:7]2)[C:15]1=[O:16])[C:31]([c:30]1[c:26](-[c:21]2[c:20]([Cl:19])[cH:25][cH:24][cH:23][cH:22]2)[n:27][o:28][c:29]1[CH3:34])=[O:32]